Chimera Commands Index
Usage:
open [ noprefs ] [ nowildcard ]
[ model-ID ] [ filename1 filename2 ... ]
Usage:
( close | ~open )
( model-spec | all | session )
The command open reads local files and
fetches data from the Web.
Chimera input files may contain structures
to be displayed, commands or code to be executed, or other data;
the filename(s), if any, should be the last arguments in the command.
If no filename is supplied, a dialog
for browsing the local filesystem for input will appear.
Any resulting models in Chimera are assigned the specified model-ID
number, or if none is specified, the lowest number(s) available.
When multiple models are opened with a single command, model-ID
should not be specified unless there is some reason to assign all of the
models the same number.
Various attributes of newly opened molecules can be customized
in the
New Molecules preferences
(see also set autoColor).
The noprefs keyword indicates that a user's
New Molecules preferences
should not be applied. This prevents inconsistent behavior of
command files and
demos
potentially caused by the different preferences settings of different users.
If a model is closed and another model opened with the same model number,
none of the transformations applied to the previous model are applied to
the newly opened model. The transformation matrix of one model can be applied
to another model using matrixcopy.
The command close or ~open removes structures and other data:
model(s) specified by number, or all models (everything listed in the
Model Panel),
or the session (all models, plus data without associated model numbers,
such as 2D labels and
sequence alignments).
Closing a session shows the Rapid Access
interface.
See also:
read,
runscript,
split,
start,
Rapid Access,
Fetch by ID,
Chimera input file types
Local Files
A filename is generally a pathname to a local file, either absolute
or relative to the current working directory. The working
directory can be changed with cd.
A pathname may start with "~" to indicate the user's home directory.
Multiple files can be specified by including * (wild card),
? (single-character wild card), and/or square-bracketed character ranges
in a filename. Such filename expansion or globbing
is on by default, but can be turned off with the nowildcard keyword.
If no filename is supplied, a dialog
for browsing the filesystem will appear.
Any of the registered file types
can be opened.
A file type can be specified
by a suffix
that is part of the filename or by
prefix:filename,
where prefix
is not part of the filename.
If a prefix and a suffix are both given, the prefix overrides the suffix.
Filenames, prefixes, and suffixes are case-sensitive.
Unrecognized prefixes are assumed to be part of the filename.
For many of the registered file types,
files that are gzipped (as indicated by .gz
following the regular filename) are recognized and opened.
Similarly, compressed files (as indicated by .Z)
can be recognized and opened
for many input types if gzip is on the user's execution path
(can be run by entering gzip at the system command line).
PDB format
is the default input type.
Files from the Web
Other than a local file, a filename can specify data to be retrieved
over the Web.
Fetched files can be cached locally and reused as needed depending on the
Fetch preferences
and PDB preferences.
- many registered types can be opened
by specifying an URL of the form http://[...] as the filename.
Prefix and suffix rules are as described above for
local files, but filename
globbing and reading compressed or gzipped files are not supported.
- the prefix pdbID: indicates a PDB ID
(4-character Protein Data Bank identifier)
to be used to fetch a PDB-format file from the Protein Data Bank:
- Chimera will first attempt to find the file within a
local installation of the Protein Data Bank.
The default places to look for a local installation
are /usr/mol/pdb/ and then /mol/pdb/
— these can be changed by editing the Python file
share/chimera/pdbDir within a Chimera installation.
- Next, Chimera will look for the file in any
personal PDB directories designated in the
PDB preferences.
- Next, the PDB subdirectory of the
fetch download directory will be
checked (unless the use of previously fetched files has been disallowed
in the Fetch preferences).
- Finally, if not found locally, the file will be fetched from the
Protein Data Bank web site
(unless fetching has been disallowed in the
PDB preferences).
- any input specified as PDB format (which is the default) will be
fetched in the same way if the filename resembles a
PDB ID and is not found in the current working directory
or any personal PDB directories
- the prefix cifID: indicates a PDB ID
to be used to fetch an mmCIF-format file
from the Protein Data Bank
- the prefix ndb: indicates an
NDB
ID to be translated into a PDB ID and used to fetch the corresponding structure
from the Protein Data Bank
- the prefix biounitID: indicates a PDB ID
to be used to fetch
biological assemblies from the
Protein Data Bank;
there may be multiple assemblies for a given entry, and a specific assembly
can be designated by appending “.N” to the PDB ID.
For example, 1dok specifies all biological assemblies of entry
1dok, 1dok.2 specifies biological assembly 2,
and 1dok.1.2 specifies biological assemblies 1 and 2.
Each assembly will be opened as a separate main model number,
possibly containing submodels.
- the prefix pqsID: indicates a
PDB ID to be used to fetch the predicted biological unit
from the Protein
Quaternary Structure server
(predictions are not available for all PDB entries; some entries have
multiple predictions, and for those, multiple files will be retrieved)
- the prefix viperID: indicates a PDB ID to be used to fetch an
entry from the Virus
Particle Explorer database of icosahedral virus capsid structures
(the capsid will be constructed automatically with
Multiscale Models)
- the prefix scop: indicates a
SCOP domain ID
to be used to fetch a domain structure from the
ASTRAL database
- the prefix castp: or CASTp: indicates a
PDB ID (with chain ID optionally appended, for example 2gsh.A)
to be used to fetch a structure and its
precomputed pocket measurements from the
Computed Atlas of Surface Topography of proteins
(does not include results for all PDB entries; measurements
will be displayed in a pocket list)
- the prefix modbase: indicates a
SwissProt, TrEMBL, GenPept or PIR accession code for which to fetch
PDB-format comparative models from
ModBase (associated information will be shown
in a list).
If multiple modeled structures are available for the sequence,
they will be opened as submodels
of a single model number.
- the prefix smiles: or SMILES:
indicates a
SMILES string to be converted to a 3D structure
using the smi23d web service provided by the
cheminformatics group at Indiana University,
or if that does not produce a structure, the
SMILES
translator provided by the
National Cancer Institute
CADD group.
The smi23d service deploys the same procedure
as described for Pub3D in
Willighagen et al., BMC Bioinformatics
8:487 (2007).
- the prefix pubchem: or PubChem:
indicates a
PubChem
compound identifier (CID) for which to fetch a modeled 3D structure from
PubChem3D
(this resource includes most but not all PubChem Compound entries,
e.g., only the parent forms of salts, and subject to limits
on compound size, flexibility, and constituent atom types)
- the prefix cellpackID: indicates a
cellPACK model identifier
(see cellPACK
Chimera instructions for available identifiers)
- the prefix edsID: indicates a
PDB ID to be used to fetch an electron density map from the
Protein Data Bank
in Europe (not all PDB entries have maps available;
Volume Viewer will be used to show the map)
- the prefix edsdiffID: indicates a
PDB ID to be used to fetch an electron density
difference map (fo-fc) from the
Protein Data Bank
in Europe (not all PDB entries have maps available;
Volume Viewer will be used to show the map)
- the prefix emdbID: indicates a
numerical identifier to be used to fetch an
electron density map from the
Electron
Microscopy Data Bank (or Chinese mirror site, for .cn hosts)
- the prefix emdbfitID: indicates a
numerical identifier to be used to fetch an
electron density map from the
Electron
Microscopy Data Bank (or Chinese mirror site, for .cn hosts),
along with any corresponding
Protein Data Bank
entries, which may or may not be in the fit positions relative to the map.
PDB entries only available as mmCIF will be fetched in that format
instead of in PDB format.
- the prefix uniprot: indicates a
UniProt
accession code or identifier to be used to fetch a protein sequence
and its annotations and show them in
Multalign Viewer (much as described for
PDB/UniProt
Info, except independent of structure).
This type of fetch is not saved locally even if a
download directory has been specified.
UniProt's ID
mapping service
can be used to obtain UniProt identifiers from other sequence
database identifiers.